PrGe5
Traditional Materials TRAMP-ID: mp-981551 · Space group: Immm (#71)
Basic Information
Formula
PrGe5
MP-ID
mp-981551
Elements
2
Sites
6
Density
6.6314
g/cm³
Volume
126.23
ų
Cell a
4.0301
Å
Cell b
6.2265
Å
Cell c
6.2265
Å
α Angle
60.63
°
β Angle
71.12
°
γ Angle
71.12
°
Space Group
Immm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oI
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 16.67 | 5.3166 | 1.3 | (0,1,0) |
| 17.80 | 4.9832 | 2.9 | (0,1,1) |
| 23.82 | 3.7362 | 5.2 | (1,0,0) |
| 26.27 | 3.3926 | 18.3 | (1,1,0) |
| 30.43 | 2.9371 | 12.5 | (0,2,1) |
| 33.72 | 2.6583 | 51.4 | (0,2,0) |
| 35.00 | 2.5634 | 100.0 | (1,-1,-1) |
| 36.05 | 2.4916 | 1.4 | (0,2,2) |
| 37.39 | 2.4051 | 71.1 | (1,1,-1) |
| 44.17 | 2.0504 | 6.1 | (0,2,-1) |
| 44.99 | 2.0150 | 24.7 | (2,1,1) |
| 46.51 | 1.9525 | 17.3 | (0,3,1) |
| 49.00 | 1.8590 | 3.8 | (1,2,-1) |
| 51.57 | 1.7722 | 3.2 | (0,3,0) |
| 52.54 | 1.7417 | 8.4 | (1,1,-2) |
| 55.29 | 1.6616 | 4.6 | (2,0,-1) |
| 55.31 | 1.6611 | 13.1 | (0,3,3) |
| 57.38 | 1.6058 | 22.0 | (2,1,-1) |
| 58.76 | 1.5714 | 4.7 | (0,2,-2) |
| 59.52 | 1.5532 | 21.3 | (1,-1,-3) |
| 61.92 | 1.4987 | 1.6 | (0,3,-1) |
| 62.23 | 1.4918 | 3.2 | (1,-2,-3) |
| 62.32 | 1.4900 | 3.7 | (1,0,-3) |
| 64.31 | 1.4485 | 3.2 | (1,2,-2) |
Energy Properties
Formation Energy/atom
-0.28642
eV/atom
Energy/atom
-16.74706
eV/atom
Energy above Hull
0.0752
eV/atom
Uncorrected Energy
-4.9063
eV/atom
Volume/atom
21.04
ų
c/a Ratio
1.5450
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ge · 0.833
Element Family
N/A
Solute Fraction
0.167
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.582
Family
Binary Alloy
Matrix Element
Ge · 0.833
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-981551
Reference Citation
The crystal structure and related material properties of PrGe5 were obtained from the Materials Project database (MP-ID: mp-981551, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_PrGe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03005600
_cell_length_b 6.22652971
_cell_length_c 6.22652971
_cell_angle_alpha 60.62905017
_cell_angle_beta 71.11802597
_cell_angle_gamma 71.11802597
_symmetry_Int_Tables_number 1
_chemical_formula_structural PrGe5
_chemical_formula_sum 'Pr1 Ge5'
_cell_volume 126.23113831
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pr Pr0 1 0.00000000 0.00000000 0.00000000 1.0
Ge Ge1 1 0.67029800 0.53365300 0.12575200 1.0
Ge Ge2 1 0.67029700 0.12575200 0.53365400 1.0
Ge Ge3 1 0.32970200 0.46634700 0.87424800 1.0
Ge Ge4 1 0.32970300 0.87424800 0.46634600 1.0
Ge Ge5 1 0.00000000 0.50000000 0.50000000 1.0
